N-cyclopropyl-3,3-dimethyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide

C15H30N2O2S — CID 106631277

IUPACN-cyclopropyl-3,3-dimethyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)N(CC1CCCNC1)C1CC1
InChIInChI=1S/C15H30N2O2S/c1-15(2,3)8-10-20(18,19)17(14-6-7-14)12-13-5-4-9-16-11-13/h13-14,16H,4-12H2,1-3H3
InChIKeyZNZQSVVCCWXRRV-UHFFFAOYSA-N
MW302.48 g/mol
LogP2.22
Rot. Bonds6

About N-cyclopropyl-3,3-dimethyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide

N-cyclopropyl-3,3-dimethyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide (PubChem CID 106631277) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is N-cyclopropyl-3,3-dimethyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3,3-dimethyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide
PubChem CID106631277
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC NameN-cyclopropyl-3,3-dimethyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)N(CC1CCCNC1)C1CC1
InChIInChI=1S/C15H30N2O2S/c1-15(2,3)8-10-20(18,19)17(14-6-7-14)12-13-5-4-9-16-11-13/h13-14,16H,4-12H2,1-3H3
InChIKeyZNZQSVVCCWXRRV-UHFFFAOYSA-N
XLogP2.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-ethoxy-N-(piperidin-3-ylmethyl)ethanesulfonamide
CID 106631255
N-cyclopropyl-N-(piperidin-3-ylmethyl)methanesulfonamide
CID 106631170
N-(2-ethylsulfonylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106640099
N-cyclopropyl-N-(piperidin-3-ylmethyl)morpholine-4-sulfonamide
CID 106631174
5-chloro-N-cyclopropyl-4-methyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide
CID 106631230
2,3-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 71302394
4-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106631237
N-(azetidin-3-yl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide
CID 103521480
1-cyclopropyl-N-methyl-N-(piperidin-3-ylmethyl)methanesulfonamide
CID 106630892
3-(2,2-dimethylpropyl)piperidine
CID 21041533
3-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropane-1-sulfonamide
CID 106630987
N-(piperidin-3-ylmethyl)-N-propylbutane-1-sulfonamide
CID 106631296

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3,3-dimethyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide?
The IUPAC name of N-cyclopropyl-3,3-dimethyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide (CID 106631277) is N-cyclopropyl-3,3-dimethyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide.
What is the SMILES notation for N-cyclopropyl-3,3-dimethyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide?
The canonical SMILES for N-cyclopropyl-3,3-dimethyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide is CC(C)(C)CCS(=O)(=O)N(CC1CCCNC1)C1CC1.
What is the InChIKey of N-cyclopropyl-3,3-dimethyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide?
The InChIKey is ZNZQSVVCCWXRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-15(2,3)8-10-20(18,19)17(14-6-7-14)12-13-5-4-9-16-11-13/h13-14,16H,4-12H2,1-3H3.
What are the key properties of N-cyclopropyl-3,3-dimethyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide?
N-cyclopropyl-3,3-dimethyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide has a molecular weight of 302.48 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3,3-dimethyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide is sourced from PubChem (CID 106631277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).